# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/1733b5ec-a08b-4ee6-8d07-8781a375d80a/download)

## Creator

[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)

## Rights

Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[Ab-initio phonon calculation for Na3GaP8O23 / P4_132 (213) / materials id 14390](https://mdr.nims.go.jp/datasets/8f03bb85-412e-44ef-9d88-46ea2cd49a5c)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P4_132"  number: 213  Hall_symbol: "P 4bd 2ab 3"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [    11.955660999999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.955660999999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.955660999999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.659400210000000,  0.659400210000000,  0.659400210000000 ]    mass: 15.999400  - symbol: O  # 2    coordinates: [  0.909400210000000,  0.590599790000000,  0.409400210000000 ]    mass: 15.999400  - symbol: O  # 3    coordinates: [  0.590599790000000,  0.409400210000000,  0.909400210000000 ]    mass: 15.999400  - symbol: O  # 4    coordinates: [  0.409400210000000,  0.909400210000000,  0.590599790000000 ]    mass: 15.999400  - symbol: O  # 5    coordinates: [  0.159400210000000,  0.840599790000000,  0.340599790000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.840599790000000,  0.340599790000000,  0.159400210000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.340599790000000,  0.159400210000000,  0.840599790000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.090599790000000,  0.090599790000000,  0.090599790000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.438047780000000,  0.513866970000000,  0.680790880000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.938047780000000,  0.986133030000000,  0.319209120000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.513866970000000,  0.680790880000000,  0.438047780000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.486133030000000,  0.180790880000000,  0.061952220000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.680790880000000,  0.438047780000000,  0.513866970000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.819209120000000,  0.561952220000000,  0.013866970000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.188047780000000,  0.930790880000000,  0.736133030000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.688047780000000,  0.569209120000000,  0.263866970000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.811952220000000,  0.430790880000000,  0.763866970000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.569209120000000,  0.263866970000000,  0.688047780000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.763866970000000,  0.811952220000000,  0.430790880000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.263866970000000,  0.688047780000000,  0.569209120000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.930790880000000,  0.736133030000000,  0.188047780000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.736133030000000,  0.188047780000000,  0.930790880000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.430790880000000,  0.763866970000000,  0.811952220000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.069209120000000,  0.236133030000000,  0.311952220000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.236133030000000,  0.311952220000000,  0.069209120000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.319209120000000,  0.938047780000000,  0.986133030000000 ]    mass: 15.999400  - symbol: O  # 27    coordinates: [  0.180790880000000,  0.061952220000000,  0.486133030000000 ]    mass: 15.999400  - symbol: O  # 28    coordinates: [  0.013866970000000,  0.819209120000000,  0.561952220000000 ]    mass: 15.999400  - symbol: O  # 29    coordinates: [  0.986133030000000,  0.319209120000000,  0.938047780000000 ]    mass: 15.999400  - symbol: O  # 30    coordinates: [  0.061952220000000,  0.486133030000000,  0.180790880000000 ]    mass: 15.999400  - symbol: O  # 31    coordinates: [  0.561952220000000,  0.013866970000000,  0.819209120000000 ]    mass: 15.999400  - symbol: O  # 32    coordinates: [  0.311952220000000,  0.069209120000000,  0.236133030000000 ]    mass: 15.999400  - symbol: O  # 33    coordinates: [  0.375000000000000,  0.732550610000000,  0.017449390000000 ]    mass: 15.999400  - symbol: O  # 34    coordinates: [  0.517449390000000,  0.125000000000000,  0.267449390000000 ]    mass: 15.999400  - symbol: O  # 35    coordinates: [  0.740756500000000,  0.328737340000000,  0.344376070000000 ]    mass: 15.999400  - symbol: O  # 36    coordinates: [  0.232550610000000,  0.482550610000000,  0.625000000000000 ]    mass: 15.999400  - symbol: O  # 37    coordinates: [  0.982550610000000,  0.875000000000000,  0.767449390000000 ]    mass: 15.999400  - symbol: O  # 38    coordinates: [  0.017449390000000,  0.375000000000000,  0.732550610000000 ]    mass: 15.999400  - symbol: O  # 39    coordinates: [  0.482550610000000,  0.625000000000000,  0.232550610000000 ]    mass: 15.999400  - symbol: O  # 40    coordinates: [  0.267449390000000,  0.517449390000000,  0.125000000000000 ]    mass: 15.999400  - symbol: O  # 41    coordinates: [  0.732550610000000,  0.017449390000000,  0.375000000000000 ]    mass: 15.999400  - symbol: O  # 42    coordinates: [  0.625000000000000,  0.232550610000000,  0.482550610000000 ]    mass: 15.999400  - symbol: O  # 43    coordinates: [  0.125000000000000,  0.267449390000000,  0.517449390000000 ]    mass: 15.999400  - symbol: O  # 44    coordinates: [  0.875000000000000,  0.767449390000000,  0.982550610000000 ]    mass: 15.999400  - symbol: O  # 45    coordinates: [  0.328737340000000,  0.344376070000000,  0.740756500000000 ]    mass: 15.999400  - symbol: O  # 46    coordinates: [  0.828737340000000,  0.155623930000000,  0.259243500000000 ]    mass: 15.999400  - symbol: O  # 47    coordinates: [  0.344376070000000,  0.740756500000000,  0.328737340000000 ]    mass: 15.999400  - symbol: O  # 48    coordinates: [  0.655623930000000,  0.240756500000000,  0.171262660000000 ]    mass: 15.999400  - symbol: O  # 49    coordinates: [  0.037740290000000,  0.119385960000000,  0.637559430000000 ]    mass: 15.999400  - symbol: O  # 50    coordinates: [  0.287740290000000,  0.612440570000000,  0.869385960000000 ]    mass: 15.999400  - symbol: O  # 51    coordinates: [  0.787740290000000,  0.887559430000000,  0.130614040000000 ]    mass: 15.999400  - symbol: O  # 52    coordinates: [  0.387559430000000,  0.369385960000000,  0.212259710000000 ]    mass: 15.999400  - symbol: O  # 53    coordinates: [  0.612440570000000,  0.869385960000000,  0.287740290000000 ]    mass: 15.999400  - symbol: O  # 54    coordinates: [  0.130614040000000,  0.787740290000000,  0.887559430000000 ]    mass: 15.999400  - symbol: O  # 55    coordinates: [  0.369385960000000,  0.212259710000000,  0.387559430000000 ]    mass: 15.999400  - symbol: O  # 56    coordinates: [  0.637559430000000,  0.037740290000000,  0.119385960000000 ]    mass: 15.999400  - symbol: O  # 57    coordinates: [  0.119385960000000,  0.637559430000000,  0.037740290000000 ]    mass: 15.999400  - symbol: O  # 58    coordinates: [  0.380614040000000,  0.362440570000000,  0.537740290000000 ]    mass: 15.999400  - 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symbol: O  # 68    coordinates: [  0.630614040000000,  0.712259710000000,  0.112440570000000 ]    mass: 15.999400  - symbol: O  # 69    coordinates: [  0.887559430000000,  0.130614040000000,  0.787740290000000 ]    mass: 15.999400  - symbol: O  # 70    coordinates: [  0.112440570000000,  0.630614040000000,  0.712259710000000 ]    mass: 15.999400  - symbol: O  # 71    coordinates: [  0.212259710000000,  0.387559430000000,  0.369385960000000 ]    mass: 15.999400  - symbol: O  # 72    coordinates: [  0.712259710000000,  0.112440570000000,  0.630614040000000 ]    mass: 15.999400  - symbol: O  # 73    coordinates: [  0.421262660000000,  0.009243500000000,  0.405623930000000 ]    mass: 15.999400  - symbol: O  # 74    coordinates: [  0.671262660000000,  0.844376070000000,  0.759243500000000 ]    mass: 15.999400  - symbol: O  # 75    coordinates: [  0.171262660000000,  0.655623930000000,  0.240756500000000 ]    mass: 15.999400  - symbol: O  # 76    coordinates: [  0.155623930000000,  0.259243500000000,  0.828737340000000 ]    mass: 15.999400  - symbol: O  # 77    coordinates: [  0.844376070000000,  0.759243500000000,  0.671262660000000 ]    mass: 15.999400  - symbol: O  # 78    coordinates: [  0.240756500000000,  0.171262660000000,  0.655623930000000 ]    mass: 15.999400  - symbol: O  # 79    coordinates: [  0.259243500000000,  0.828737340000000,  0.155623930000000 ]    mass: 15.999400  - symbol: O  # 80    coordinates: [  0.405623930000000,  0.421262660000000,  0.009243500000000 ]    mass: 15.999400  - symbol: O  # 81    coordinates: [  0.009243500000000,  0.405623930000000,  0.421262660000000 ]    mass: 15.999400  - symbol: O  # 82    coordinates: [  0.490756500000000,  0.594376070000000,  0.921262660000000 ]    mass: 15.999400  - symbol: O  # 83    coordinates: [  0.905623930000000,  0.078737340000000,  0.990756500000000 ]    mass: 15.999400  - symbol: O  # 84    coordinates: [  0.990756500000000,  0.905623930000000,  0.078737340000000 ]    mass: 15.999400  - symbol: O  # 85    coordinates: [  0.094376070000000,  0.578737340000000,  0.509243500000000 ]    mass: 15.999400  - symbol: O  # 86    coordinates: [  0.594376070000000,  0.921262660000000,  0.490756500000000 ]    mass: 15.999400  - symbol: O  # 87    coordinates: [  0.509243500000000,  0.094376070000000,  0.578737340000000 ]    mass: 15.999400  - symbol: O  # 88    coordinates: [  0.921262660000000,  0.490756500000000,  0.594376070000000 ]    mass: 15.999400  - symbol: O  # 89    coordinates: [  0.578737340000000,  0.509243500000000,  0.094376070000000 ]    mass: 15.999400  - symbol: O  # 90    coordinates: [  0.078737340000000,  0.990756500000000,  0.905623930000000 ]    mass: 15.999400  - symbol: O  # 91    coordinates: [  0.759243500000000,  0.671262660000000,  0.844376070000000 ]    mass: 15.999400  - symbol: O  # 92    coordinates: [  0.767449390000000,  0.982550610000000,  0.875000000000000 ]    mass: 15.999400  - symbol: Na # 93    coordinates: [  0.125000000000000,  0.043326420000000,  0.293326420000000 ]    mass: 22.989769  - symbol: Na # 94    coordinates: [  0.625000000000000,  0.456673580000000,  0.706673580000000 ]    mass: 22.989769  - symbol: Na # 95    coordinates: [  0.956673580000000,  0.793326420000000,  0.375000000000000 ]    mass: 22.989769  - symbol: Na # 96    coordinates: [  0.043326420000000,  0.293326420000000,  0.125000000000000 ]    mass: 22.989769  - symbol: Na # 97    coordinates: [  0.706673580000000,  0.625000000000000,  0.456673580000000 ]    mass: 22.989769  - symbol: Na # 98    coordinates: [  0.793326420000000,  0.375000000000000,  0.956673580000000 ]    mass: 22.989769  - symbol: Na # 99    coordinates: [  0.206673580000000,  0.875000000000000,  0.543326420000000 ]    mass: 22.989769  - symbol: Na # 100    coordinates: [  0.543326420000000,  0.206673580000000,  0.875000000000000 ]    mass: 22.989769  - symbol: Na # 101    coordinates: [  0.456673580000000,  0.706673580000000,  0.625000000000000 ]    mass: 22.989769  - symbol: Na # 102    coordinates: [  0.293326420000000,  0.125000000000000,  0.043326420000000 ]    mass: 22.989769  - symbol: Na # 103    coordinates: [  0.375000000000000,  0.956673580000000,  0.793326420000000 ]    mass: 22.989769  - symbol: Na # 104    coordinates: [  0.875000000000000,  0.543326420000000,  0.206673580000000 ]    mass: 22.989769  - symbol: P  # 105    coordinates: [  0.068638800000000,  0.360555970000000,  0.855352600000000 ]    mass: 30.973762  - symbol: P  # 106    coordinates: [  0.894647400000000,  0.389444030000000,  0.681361200000000 ]    mass: 30.973762  - symbol: P  # 107    coordinates: [  0.360555970000000,  0.855352600000000,  0.068638800000000 ]    mass: 30.973762  - symbol: P  # 108    coordinates: [  0.860555970000000,  0.644647400000000,  0.931361200000000 ]    mass: 30.973762  - symbol: P  # 109    coordinates: [  0.639444030000000,  0.355352600000000,  0.431361200000000 ]    mass: 30.973762  - symbol: P  # 110    coordinates: [  0.644647400000000,  0.931361200000000,  0.860555970000000 ]    mass: 30.973762  - symbol: P  # 111    coordinates: [  0.431361200000000,  0.639444030000000,  0.355352600000000 ]    mass: 30.973762  - symbol: P  # 112    coordinates: [  0.931361200000000,  0.860555970000000,  0.644647400000000 ]    mass: 30.973762  - symbol: P  # 113    coordinates: [  0.855352600000000,  0.068638800000000,  0.360555970000000 ]    mass: 30.973762  - symbol: P  # 114    coordinates: [  0.605352600000000,  0.610555970000000,  0.181361200000000 ]    mass: 30.973762  - symbol: P  # 115    coordinates: [  0.355352600000000,  0.431361200000000,  0.639444030000000 ]    mass: 30.973762  - symbol: P  # 116    coordinates: [  0.144647400000000,  0.568638800000000,  0.139444030000000 ]    mass: 30.973762  - symbol: P  # 117    coordinates: [  0.818638800000000,  0.105352600000000,  0.889444030000000 ]    mass: 30.973762  - symbol: P  # 118    coordinates: [  0.394647400000000,  0.110555970000000,  0.318638800000000 ]    mass: 30.973762  - symbol: P  # 119    coordinates: [  0.105352600000000,  0.889444030000000,  0.818638800000000 ]    mass: 30.973762  - symbol: P  # 120    coordinates: [  0.681361200000000,  0.894647400000000,  0.389444030000000 ]    mass: 30.973762  - symbol: P  # 121    coordinates: [  0.318638800000000,  0.394647400000000,  0.110555970000000 ]    mass: 30.973762  - symbol: P  # 122    coordinates: [  0.889444030000000,  0.818638800000000,  0.105352600000000 ]    mass: 30.973762  - symbol: P  # 123    coordinates: [  0.389444030000000,  0.681361200000000,  0.894647400000000 ]    mass: 30.973762  - symbol: P  # 124    coordinates: [  0.139444030000000,  0.144647400000000,  0.568638800000000 ]    mass: 30.973762  - symbol: P  # 125    coordinates: [  0.181361200000000,  0.605352600000000,  0.610555970000000 ]    mass: 30.973762  - symbol: P  # 126    coordinates: [  0.110555970000000,  0.318638800000000,  0.394647400000000 ]    mass: 30.973762  - symbol: P  # 127    coordinates: [  0.610555970000000,  0.181361200000000,  0.605352600000000 ]    mass: 30.973762  - symbol: P  # 128    coordinates: [  0.019211070000000,  0.019211070000000,  0.019211070000000 ]    mass: 30.973762  - symbol: P  # 129    coordinates: [  0.269211070000000,  0.230788930000000,  0.769211070000000 ]    mass: 30.973762  - symbol: P  # 130    coordinates: [  0.769211070000000,  0.269211070000000,  0.230788930000000 ]    mass: 30.973762  - symbol: P  # 131    coordinates: [  0.230788930000000,  0.769211070000000,  0.269211070000000 ]    mass: 30.973762  - symbol: P  # 132    coordinates: [  0.480788930000000,  0.980788930000000,  0.519211070000000 ]    mass: 30.973762  - symbol: P  # 133    coordinates: [  0.519211070000000,  0.480788930000000,  0.980788930000000 ]    mass: 30.973762  - symbol: P  # 134    coordinates: [  0.980788930000000,  0.519211070000000,  0.480788930000000 ]    mass: 30.973762  - symbol: P  # 135    coordinates: [  0.730788930000000,  0.730788930000000,  0.730788930000000 ]    mass: 30.973762  - symbol: P  # 136    coordinates: [  0.568638800000000,  0.139444030000000,  0.144647400000000 ]    mass: 30.973762  - symbol: Ga # 137    coordinates: [  0.125000000000000,  0.625000000000000,  0.875000000000000 ]    mass: 69.723000  - symbol: Ga # 138    coordinates: [  0.375000000000000,  0.375000000000000,  0.375000000000000 ]    mass: 69.723000  - symbol: Ga # 139    coordinates: [  0.875000000000000,  0.125000000000000,  0.625000000000000 ]    mass: 69.723000  - symbol: Ga # 140    coordinates: [  0.625000000000000,  0.875000000000000,  0.125000000000000 ]    mass: 69.723000  reciprocal_lattice: # without 2pi  - [     0.083642384975620,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.083642384975620,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.083642384975620 ] # c*unit_cell:  lattice:  - [    11.955660999999999,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,    11.955660999999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    11.955660999999999 ] # c  points:  - symbol: O  # 1    coordinates: [  0.659400210000000,  0.659400210000000,  0.659400210000000 ]    mass: 15.999400    reduced_to: 1  - symbol: O  # 2    coordinates: [  0.909400210000000,  0.590599790000000,  0.409400210000000 ]    mass: 15.999400    reduced_to: 2  - symbol: O  # 3    coordinates: [  0.590599790000000,  0.409400210000000,  0.909400210000000 ]    mass: 15.999400    reduced_to: 3  - 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